1-[(4-Ethylphenyl)ethynyl]-4-(trans-4-propylcyclohexyl)benzene (107949-21-3)

The 1-[(4-Ethylphenyl)ethynyl]-4-(trans-4-propylcyclohexyl)benzene, with cas registry number 107949-21-3, has the systematic name of 1-ethyl-4-{[4-(4-propylcyclohexyl)phenyl]ethynyl}benzene. And it is also called Benzene, 1-[(4-ethylphenyl)ethynyl]-4-(4-propylcyclohexyl)-.

Physical properties about this chemical are: (1)ACD/LogP: 9.85; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 9.85; (4)ACD/LogD (pH 7.4): 9.85; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 5409411.5; (8)ACD/KOC (pH 7.4): 5409411.5; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 5; (12)Polar Surface Area: 0 Å²; (13)Index of Refraction: 1.571; (14)Molar Refractivity: 107.57 cm³; (15)Molar Volume: 327.1 cm³; (16)Polarizability: 42.64×10^-24cm³; (17)Surface Tension: 43.1 dyne/cm; (18)Enthalpy of Vaporization: 69.02 kJ/mol; (19)Vapour Pressure: 4.02E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: C(#Cc1ccc(cc1)C2CCC(CCC)CC2)c3ccc(cc3)CC
(2)InChI: InChI=1/C25H30/c1-3-5-21-12-16-24(17-13-21)25-18-14-23(15-19-25)11-10-22-8-6-20(4-2)7-9-22/h6-9,14-15,18-19,21,24H,3-5,12-13,16-17H2,1-2H3
(3)InChIKey: VWBHMDVHVYVIAR-UHFFFAOYAC
(4)Std. InChI: InChI=1S/C25H30/c1-3-5-21-12-16-24(17-13-21)25-18-14-23(15-19-25)11-10-22-8-6-20(4-2)7-9-22/h6-9,14-15,18-19,21,24H,3-5,12-13,16-17H2,1-2H3
(5)Std. InChIKey: VWBHMDVHVYVIAR-UHFFFAOYSA-N